2,3,5-trimethyl-6-prop-2-enylpyrazine

C10H14N2 — CID 595263

IUPAC2,3,5-trimethyl-6-prop-2-enylpyrazine
SMILESC=CCc1nc(C)c(C)nc1C
InChIInChI=1S/C10H14N2/c1-5-6-10-9(4)11-7(2)8(3)12-10/h5H,1,6H2,2-4H3
InChIKeyZFPORMYSWAHSAQ-UHFFFAOYSA-N
MW162.24 g/mol
LogP2.13
Rot. Bonds2

About 2,3,5-trimethyl-6-prop-2-enylpyrazine

2,3,5-trimethyl-6-prop-2-enylpyrazine (PubChem CID 595263) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 2,3,5-trimethyl-6-prop-2-enylpyrazine.

Molecular Properties

Compound Name2,3,5-trimethyl-6-prop-2-enylpyrazine
PubChem CID595263
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name2,3,5-trimethyl-6-prop-2-enylpyrazine
SMILESC=CCc1nc(C)c(C)nc1C
InChIInChI=1S/C10H14N2/c1-5-6-10-9(4)11-7(2)8(3)12-10/h5H,1,6H2,2-4H3
InChIKeyZFPORMYSWAHSAQ-UHFFFAOYSA-N
XLogP2.13
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,5-trimethyl-6-prop-2-enylpyrazine?
The IUPAC name of 2,3,5-trimethyl-6-prop-2-enylpyrazine (CID 595263) is 2,3,5-trimethyl-6-prop-2-enylpyrazine.
What is the SMILES notation for 2,3,5-trimethyl-6-prop-2-enylpyrazine?
The canonical SMILES for 2,3,5-trimethyl-6-prop-2-enylpyrazine is C=CCc1nc(C)c(C)nc1C.
What is the InChIKey of 2,3,5-trimethyl-6-prop-2-enylpyrazine?
The InChIKey is ZFPORMYSWAHSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-5-6-10-9(4)11-7(2)8(3)12-10/h5H,1,6H2,2-4H3.
What are the key properties of 2,3,5-trimethyl-6-prop-2-enylpyrazine?
2,3,5-trimethyl-6-prop-2-enylpyrazine has a molecular weight of 162.24 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethyl-6-prop-2-enylpyrazine is sourced from PubChem (CID 595263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).